Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P56730
UPID:
NETR_HUMAN
Alternative names:
Leydin; Motopsin; Serine protease 12
Alternative UPACC:
P56730; Q9UP16
Background:
Neurotrypsin, also known as Leydin, Motopsin, or Serine protease 12, encoded by the gene with accession number P56730, is pivotal in neuronal plasticity. Its proteolytic action is crucial for structural reorganizations that facilitate learning and memory operations.
Therapeutic significance:
Linked to Intellectual developmental disorder, autosomal recessive 1, Neurotrypsin's dysfunction underscores its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for intellectual developmental disorders.